Jump to main content
Jump to site search

Issue 6, 2015
Previous Article Next Article

Kinetic Monte Carlo simulations of the assembly of filamentous biomacromolecules by the dimer addition mechanism

Author affiliations

Abstract

In cells, several important biomacromolecules form oligomers through a dimer addition mechanism. Rate equations based on mean field approximations are usually employed to describe the assembly process. However, such equations often require multiple assumptions that mask some detailed changes of the biomolecular configurations during aggregations. Here, we present a kinetic Monte Carlo simulation scheme to account for the diffusion and rotation of dimers on two-dimensional hexagonal lattices while naturally including the stochastic features. We investigate the effects of the interaction energy between dimers, the diffusion coefficient and the concentration of dimers on the aggregation by dimer addition mechanism. Our simulations identified unusual double-S shape evolutions of aggregation kinetics, which are probably associated with the formation of metastable clusters.

Graphical abstract: Kinetic Monte Carlo simulations of the assembly of filamentous biomacromolecules by the dimer addition mechanism

Back to tab navigation

Supplementary files

Publication details

The article was received on 24 Aug 2014, accepted on 04 Dec 2014 and first published on 05 Dec 2014


Article type: Paper
DOI: 10.1039/C4RA09189B
Author version available: Download Author version (PDF)
Citation: RSC Adv., 2015,5, 3922-3929
  •   Request permissions

    Kinetic Monte Carlo simulations of the assembly of filamentous biomacromolecules by the dimer addition mechanism

    T. Luo and D. N. Robinson, RSC Adv., 2015, 5, 3922
    DOI: 10.1039/C4RA09189B

Search articles by author

Spotlight

Advertisements